phenyl 4-(iodanylsulfonylamino)-3-(3-oxidanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 4-(iodanylsulfonylamino)-3-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-(3-hydroxypiperazin-1-yl)-4-(iodosulfonylamino)benzenesulfonate CAS Name: 3-(3-hydroxy-1-piperazinyl)-4-(iodosulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-hydroxypiperazin-1-yl)-4-(iodosulfonylamino)benzenesulfonate Traditional Name: 3-(3-hydroxypiperazino)-4-(iodosulfonylamino)benzenesulfonic acid phenyl ester Formula: C16H18IN3O6S2 MolecularWeight: 539.36509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)O)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)I

Isomeric SMILES

C1CN(CC(N1)O)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)I

InChI

InChI=1S/C16H18IN3O6S2/c17-28(24,25)19-14-7-6-13(10-15(14)20-9-8-18-16(21)11-20)27(22,23)26-12-4-2-1-3-5-12/h1-7,10,16,18-19,21H,8-9,11H2